Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.41 |
| ▸ | PRKDC | P78527 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.36 |
| ▸ | TUBB | P07437 | 2/20 | 0.36 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.36 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.36 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.36 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.36 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.36 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.36 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.36 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.36 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL20557320 | 0.81 | AR (0.42) | STING1ALDH1A1 | |
| SCHEMBL3480270 | 0.75 | MAOA (0.47) | MAOAPDE3BPDE3AGSK3BLCK | |
| SCHEMBL3805252 | 0.72 | HDAC8 (0.51) | MAOAL3MBTL1GSK3BLCKFYN | |
| SCHEMBL34459993 | 0.72 | ALDH1A1 (0.44) | PDE3BPDE3AMAPTNPSR1CYP3A4 | |
| SCHEMBL23287803 | 0.72 | MTNR1A (0.48) | L3MBTL1MAPTALDH1A1 | |
| SCHEMBL5544081 | 0.72 | ALDH1A1 (0.44) | PDE3BPDE3AMAPTNPSR1CYP3A4 | |
| SCHEMBL10449733 | 0.72 | HTT (0.49) | MAOAL3MBTL1GSK3BLCKFYN | |
| SCHEMBL8431527 | 0.71 | LCK (0.50) | L3MBTL1LCKFYNSTING1ALDH1A1 | |
| SCHEMBL8587732 | 0.71 | TAAR1 (0.46) | HTR2A | |
| SCHEMBL13518417 | 0.70 | MAOA (0.50) | MAOAPDE3BPDE3AL3MBTL1MAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022002077-A1 | ARYL AROMATIC HETEROCYCLIC DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海海和药物研究开发股份有限公司 | 2022-01-06 | — | — | WO | disclosed |